CID 123584

Methyl 3-amino-4-methylthiophene-2-carboxylate

Structural Information

Molecular Formula
C7H9NO2S
SMILES
CC1=CSC(=C1N)C(=O)OC
InChI
InChI=1S/C7H9NO2S/c1-4-3-11-6(5(4)8)7(9)10-2/h3H,8H2,1-2H3
InChIKey
YICRPERKKBDRSP-UHFFFAOYSA-N
Compound name
methyl 3-amino-4-methylthiophene-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

931
Patents

171.0354 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.04268 135.8
[M+Na]+ 194.02462 145.4
[M+NH4]+ 189.06922 144.1
[M+K]+ 209.99856 140.7
[M-H]- 170.02812 137.2
[M+Na-2H]- 192.01007 139.5
[M]+ 171.03485 137.8
[M]- 171.03595 137.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe